SCHEMBL1027351

SCHEMBL1027351

CCOC(=O)CN(CC(=O)OCC)c1cc(C#N)c(F)cc1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.38
ALDH1A1 P00352 6/20 0.38
KDM4E B2RXH2 6/20 0.38
SMN1; SMN2 Q16637 4/20 0.38
HPGD P15428 2/20 0.38
LMNA P02545 1/20 0.38
L3MBTL1 Q9Y468 4/20 0.37
RAB9A P51151 4/20 0.37
HSD17B10 Q99714 3/20 0.37
NPC1 O15118 3/20 0.37
TSHR P16473 2/20 0.37
CASP1 P29466 1/20 0.37
CASP7 P55210 1/20 0.37
KMT2A Q03164 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
NLRP3 Q96P20 1/20 0.36
GAA P10253 1/20 0.36
MEN1 O00255 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
NFKB1 P19838 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1025503 0.83 AKR1B1 (0.38) ALDH1A1KDM4ESMN1; SMN2TDP1
SCHEMBL1025885 0.80 KDM1A (0.35) ALDH1A1KDM4ELMNATSHRTDP1
SCHEMBL1025410 0.76 PDCD1 (0.42) ALDH1A1KDM4ESMN1; SMN2HPGDTDP1
SCHEMBL1024869 0.76 PDCD1 (0.42) ALDH1A1KDM4ESMN1; SMN2HPGDTDP1
SCHEMBL13652624 0.74 AKR1B1 (0.36)
SCHEMBL31554561 0.73 NLRP3 (0.46) MAPTALDH1A1KDM4ESMN1; SMN2HPGD
SCHEMBL5357828 0.69 DAO (0.43) MAPTALDH1A1KDM4ESMN1; SMN2HPGD
SCHEMBL12985044 0.69 MAPT (0.42) MAPTALDH1A1KDM4ESMN1; SMN2HPGD
SCHEMBL1026229 0.69 LMNA (0.45) MAPTALDH1A1KDM4ESMN1; SMN2HPGD
SCHEMBL1027353 0.68 PPARG (0.36) MAPTALDH1A1KDM4ESMN1; SMN2KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8513235-B2 Homocysteine synthase inhibitor MITSUBISHI TANABE PHARMA CORPORATION (JP) 2013-08-20 US disclosed
EP-2486925-A1 THERAPEUTIC AGENT FOR CEREBRAL INFARCTION Mitsubishi Tanabe Pharma Corporation (JP) 2012-08-15 EP disclosed
US-20120196824-A1 THERAPEUTIC AGENT FOR CEREBRAL INFARCTION MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-08-02 US disclosed
US-20110034440-A1 HOMOCYSTEINE SYNTHASE INHIBITOR MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-02-10 US disclosed
EP-2275404-A1 HOMOCYSTEINE SYNTHASE INHIBITOR Mitsubishi Tanabe Pharma Corporation (JP) 2011-01-19 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120196824-A1 THERAPEUTIC AGENT FOR CEREBRAL INFARCTION FABP7, TIMP3, MMP11 MAPT 230/4885ALDH1A1 180/4885KDM4E 3723/4885
US-20110034440-A1 HOMOCYSTEINE SYNTHASE INHIBITOR BHMT, CBS, BHMT2 MAPT 1767/4885ALDH1A1 600/4885KDM4E 2360/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.